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BALL
1.4.79
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#include <BALL/QSAR/simpleDescriptors.h>
Public Member Functions | |
Constructors and Destructors | |
| VertexAdjacency () | |
| VertexAdjacency (const VertexAdjacency &va) | |
| virtual | ~VertexAdjacency () |
Assignment | |
| VertexAdjacency & | operator= (const VertexAdjacency &va) |
Accessors | |
| double | compute (AtomContainer &ac) |
Public Member Functions inherited from BALL::SimpleBase | |
| SimpleBase () | |
| SimpleBase (const SimpleBase &sb) | |
| SimpleBase (const String &name) | |
| SimpleBase (const String &name, const String &unit) | |
| virtual | ~SimpleBase () |
| virtual SimpleBase & | operator= (const SimpleBase &sb) |
| void | computeAllDescriptors (AtomContainer &ac) |
| void | setDataFolder (const char *folder) |
Public Member Functions inherited from BALL::Descriptor | |
| Descriptor () | |
| Descriptor (const Descriptor &descriptor) | |
| Descriptor (const String &name) | |
| Descriptor (const String &name, const String &unit) | |
| virtual | ~Descriptor () |
| Descriptor & | operator= (const Descriptor &descriptor) |
| Processor::Result | operator() (AtomContainer &ac) |
| const String & | getName () const |
| void | setName (const String &name) |
| void | setUnit (const String &name) |
| const String & | getUnit () const |
Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer > | |
| UnaryProcessor () | |
| UnaryProcessor (const UnaryProcessor &) | |
| virtual | ~UnaryProcessor () |
| virtual bool | start () |
| virtual bool | finish () |
Additional Inherited Members | |
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
| typedef Processor::Result | result_type |
| typedef AtomContainer | argument_type |
| typedef AtomContainer & | argument_reference |
| typedef const AtomContainer & | const_argument_reference |
| typedef AtomContainer * | argument_pointer |
| typedef const AtomContainer * | const_argument_pointer |
Protected Member Functions inherited from BALL::SimpleBase | |
| void | calculate_ (AtomContainer &ac) |
| bool | isValid_ (AtomContainer &ac) |
Predicates | |
The vertex adjacency is calculated using the formula ( 1 + m ), where $m$ is the number of heavy bonds.
Definition at line 1009 of file simpleDescriptors.h.
| BALL::VertexAdjacency::VertexAdjacency | ( | ) |
Default constructor
| BALL::VertexAdjacency::VertexAdjacency | ( | const VertexAdjacency & | va | ) |
Copy constructor
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virtual |
Destructor
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virtual |
Reimplemented from BALL::Descriptor.
| VertexAdjacency& BALL::VertexAdjacency::operator= | ( | const VertexAdjacency & | va | ) |
Assignment operator
1.8.7